5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile

C240H95F15N38O3 — CID 158554969

IUPAC5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
SMILES[C-]#[N+]C1=C(c2ccc(C)cc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(C#N)cc1)c1c(c2-c2ccc(C#N)cc2)C(C#N)=C(c2ccc(OC(F)(F)F)cc2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(C(F)(F)F)cc1)c1c(c2-c2ccc(C(F)(F)F)cc2)C(C#N)=C(c2ccccc2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(OC(F)(F)F)cc1)c1c(c2-c2ccc(OC(F)(F)F)cc2)C(C#N)=C(c2ccccc2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1.[C-]#[N+]C1=C(c2ccccn2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(C#N)cc1)c1c(c2-c2ccc(C#N)cc2)C(C#N)=C(c2ccccn2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1
InChIInChI=1S/C62H25F3N10O.C60H24F6N8O2.C60H24F6N8.C58H22N12/c1-34-6-12-42(13-7-34)53-54(48(32-70)43-25-45(72-2)27-46(26-43)73-3)56-51(40-14-8-35(28-66)9-15-40)55-49(33-71)50(39-18-20-47(21-19-39)76-62(63,64)65)58(60(74-4)44-23-37(30-68)22-38(24-44)31-69)57(55)52(59(56)61(53)75-5)41-16-10-36(29-67)11-17-41;1-71-41-26-39(27-42(28-41)72-2)45(31-69)51-50(36-13-9-6-10-14-36)58(74-4)56-49(38-17-21-44(22-18-38)76-60(64,65)66)54-52(48(53(51)56)37-15-19-43(20-16-37)75-59(61,62)63)46(32-70)47(35-11-7-5-8-12-35)55(54)57(73-3)40-24-33(29-67)23-34(25-40)30-68;1-71-43-26-39(27-44(28-43)72-2)45(31-69)51-50(36-13-9-6-10-14-36)58(74-4)56-49(38-17-21-42(22-18-38)60(64,65)66)54-52(48(53(51)56)37-15-19-41(20-16-37)59(61,62)63)46(32-70)47(35-11-7-5-8-12-35)55(54)57(73-3)40-24-33(29-67)23-34(25-40)30-68;1-65-41-24-39(25-42(26-41)66-2)43(31-63)50-52(46-10-6-8-20-70-46)58(68-4)55-48(38-17-13-34(28-60)14-18-38)54-51(47(53(50)55)37-15-11-33(27-59)12-16-37)44(32-64)49(45-9-5-7-19-69-45)56(54)57(67-3)40-22-35(29-61)21-36(23-40)30-62/h6-27H,1H3;5-28H;5-28H;5-26H/b54-48+,60-58-;2*51-45+,57-55-;50-43+,57-56-
InChIKeyHQEDBINMIDDQLX-JCXMUMLISA-N
MW3843.63 g/mol
LogP60.67
Rot. Bonds27

About 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile

5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile (PubChem CID 158554969) has the molecular formula C240H95F15N38O3 and a molecular weight of 3843.63 g/mol. Its IUPAC name is 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
PubChem CID158554969
Molecular FormulaC240H95F15N38O3
Molecular Weight3843.63 g/mol
Exact Mass3840.82
IUPAC Name5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
SMILES[C-]#[N+]C1=C(c2ccc(C)cc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(C#N)cc1)c1c(c2-c2ccc(C#N)cc2)C(C#N)=C(c2ccc(OC(F)(F)F)cc2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(C(F)(F)F)cc1)c1c(c2-c2ccc(C(F)(F)F)cc2)C(C#N)=C(c2ccccc2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(OC(F)(F)F)cc1)c1c(c2-c2ccc(OC(F)(F)F)cc2)C(C#N)=C(c2ccccc2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1.[C-]#[N+]C1=C(c2ccccn2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(C#N)cc1)c1c(c2-c2ccc(C#N)cc2)C(C#N)=C(c2ccccn2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1
InChIInChI=1S/C62H25F3N10O.C60H24F6N8O2.C60H24F6N8.C58H22N12/c1-34-6-12-42(13-7-34)53-54(48(32-70)43-25-45(72-2)27-46(26-43)73-3)56-51(40-14-8-35(28-66)9-15-40)55-49(33-71)50(39-18-20-47(21-19-39)76-62(63,64)65)58(60(74-4)44-23-37(30-68)22-38(24-44)31-69)57(55)52(59(56)61(53)75-5)41-16-10-36(29-67)11-17-41;1-71-41-26-39(27-42(28-41)72-2)45(31-69)51-50(36-13-9-6-10-14-36)58(74-4)56-49(38-17-21-44(22-18-38)76-60(64,65)66)54-52(48(53(51)56)37-15-19-43(20-16-37)75-59(61,62)63)46(32-70)47(35-11-7-5-8-12-35)55(54)57(73-3)40-24-33(29-67)23-34(25-40)30-68;1-71-43-26-39(27-44(28-43)72-2)45(31-69)51-50(36-13-9-6-10-14-36)58(74-4)56-49(38-17-21-42(22-18-38)60(64,65)66)54-52(48(53(51)56)37-15-19-41(20-16-37)59(61,62)63)46(32-70)47(35-11-7-5-8-12-35)55(54)57(73-3)40-24-33(29-67)23-34(25-40)30-68;1-65-41-24-39(25-42(26-41)66-2)43(31-63)50-52(46-10-6-8-20-70-46)58(68-4)55-48(38-17-13-34(28-60)14-18-38)54-51(47(53(50)55)37-15-11-33(27-59)12-16-37)44(32-64)49(45-9-5-7-19-69-45)56(54)57(67-3)40-22-35(29-61)21-36(23-40)30-62/h6-27H,1H3;5-28H;5-28H;5-26H/b54-48+,60-58-;2*51-45+,57-55-;50-43+,57-56-
InChIKeyHQEDBINMIDDQLX-JCXMUMLISA-N
XLogP60.67
TPSA599.03 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003843.63
LogP ≤ 560.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2-[4-Fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
CID 134833888
4-[[2,6-difluoro-4-[2-fluoro-4-[4-[5-[(E)-pent-3-enyl]-2-pyridinyl]phenyl]phenyl]phenyl]-difluoromethoxy]-2-fluorobenzonitrile
CID 58383302
4-[4-[[2,6-difluoro-4-[2-fluoro-4-[5-[(E)-pent-3-enyl]-2-pyridinyl]phenyl]phenyl]-difluoromethoxy]-2-fluorophenyl]-2,6-difluorobenzonitrile
CID 58383447
4-[4-[[2,6-Difluoro-4-[2-fluoro-4-(5-pentyl-2-pyridinyl)phenyl]phenyl]-difluoromethoxy]-2-fluorophenyl]-2,6-difluorobenzonitrile
CID 58383580
4-[4-[4-[Difluoro-[2-fluoro-4-(5-pentyl-2-pyridinyl)phenyl]methoxy]phenyl]-2-fluorophenyl]-2,6-difluorobenzonitrile
CID 58383616
4-[[2,6-Difluoro-4-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]phenyl]-difluoromethoxy]-2-fluorobenzonitrile
CID 58383619
4-[[2,6-Difluoro-4-[2-fluoro-4-[4-(5-pentyl-2-pyridinyl)phenyl]phenyl]phenyl]-difluoromethoxy]-2-fluorobenzonitrile
CID 58383633
4-[[2,6-Difluoro-4-[2-fluoro-4-[2-fluoro-4-(5-pentyl-2-pyridinyl)phenyl]phenyl]phenyl]-difluoromethoxy]-2,6-difluorobenzonitrile
CID 58383634
4-[4-[[2,6-Difluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]-difluoromethoxy]-2-fluorophenyl]-2-fluorobenzonitrile
CID 58383698
4-[[2,6-Difluoro-4-[2-fluoro-4-[5-(4-pentylcyclohexyl)-2-pyridinyl]phenyl]phenyl]-difluoromethoxy]-2,6-difluorobenzonitrile
CID 58383747
4-[4-[[2,6-Difluoro-4-[2-fluoro-4-(5-pentyl-2-pyridinyl)phenyl]phenyl]-difluoromethoxy]-2-fluorophenyl]-2-fluorobenzonitrile
CID 58383758
4-[4-Cyano-3-fluoro-2-[[4-(5-nonyl-2-pyridinyl)cyclohexyl]methyl]phenoxy]-2-fluoro-3-[[4-(5-nonyl-2-pyridinyl)cyclohexyl]methyl]benzonitrile
CID 70350215

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile (CID 158554969) is 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile is [C-]#[N+]C1=C(c2ccc(C)cc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(C#N)cc1)c1c(c2-c2ccc(C#N)cc2)C(C#N)=C(c2ccc(OC(F)(F)F)cc2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(C(F)(F)F)cc1)c1c(c2-c2ccc(C(F)(F)F)cc2)C(C#N)=C(c2ccccc2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1.[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(OC(F)(F)F)cc1)c1c(c2-c2ccc(OC(F)(F)F)cc2)C(C#N)=C(c2ccccc2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1.[C-]#[N+]C1=C(c2ccccn2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2c1c(-c1ccc(C#N)cc1)c1c(c2-c2ccc(C#N)cc2)C(C#N)=C(c2ccccn2)/C1=C(/[N+]#[C-])c1cc(C#N)cc(C#N)c1.
What is the InChIKey of 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile?
The InChIKey is HQEDBINMIDDQLX-JCXMUMLISA-N. The full InChI is InChI=1S/C62H25F3N10O.C60H24F6N8O2.C60H24F6N8.C58H22N12/c1-34-6-12-42(13-7-34)53-54(48(32-70)43-25-45(72-2)27-46(26-43)73-3)56-51(40-14-8-35(28-66)9-15-40)55-49(33-71)50(39-18-20-47(21-19-39)76-62(63,64)65)58(60(74-4)44-23-37(30-68)22-38(24-44)31-69)57(55)52(59(56)61(53)75-5)41-16-10-36(29-67)11-17-41;1-71-41-26-39(27-42(28-41)72-2)45(31-69)51-50(36-13-9-6-10-14-36)58(74-4)56-49(38-17-21-44(22-18-38)76-60(64,65)66)54-52(48(53(51)56)37-15-19-43(20-16-37)75-59(61,62)63)46(32-70)47(35-11-7-5-8-12-35)55(54)57(73-3)40-24-33(29-67)23-34(25-40)30-68;1-71-43-26-39(27-44(28-43)72-2)45(31-69)51-50(36-13-9-6-10-14-36)58(74-4)56-49(38-17-21-42(22-18-38)60(64,65)66)54-52(48(53(51)56)37-15-19-41(20-16-37)59(61,62)63)46(32-70)47(35-11-7-5-8-12-35)55(54)57(73-3)40-24-33(29-67)23-34(25-40)30-68;1-65-41-24-39(25-42(26-41)66-2)43(31-63)50-52(46-10-6-8-20-70-46)58(68-4)55-48(38-17-13-34(28-60)14-18-38)54-51(47(53(50)55)37-15-11-33(27-59)12-16-37)44(32-64)49(45-9-5-7-19-69-45)56(54)57(67-3)40-22-35(29-61)21-36(23-40)30-62/h6-27H,1H3;5-28H;5-28H;5-26H/b54-48+,60-58-;2*51-45+,57-55-;50-43+,57-56-.
What are the key properties of 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile?
5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile has a molecular weight of 3843.63 g/mol, XLogP of 60.67, 27 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-2,6-dipyridin-2-yl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-4,8-bis(4-cyanophenyl)-7-isocyano-6-(4-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethoxy)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile;5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-7-isocyano-2,6-diphenyl-4,8-bis[4-(trifluoromethyl)phenyl]-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 158554969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).